1-ethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C23H26N6O2S2 MolecularWeight: 482.62154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C23H26N6O2S2/c1-2-28-21-12-11-19(33(30,31)27-13-7-4-8-14-27)15-20(21)25-22(28)16-32-23-26-24-17-29(23)18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,2,4,7-8,13-14,16H2,1H3